SCHEMBL9760249

SCHEMBL9760249

C=C(C=O)c1cc(OCc2ccccc2)c(OCCC)c(SC)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
HTR1A P08908 4/20 0.36
ADRA1D P25100 4/20 0.36
ADRA1A P35348 4/20 0.36
ADRA1B P35368 4/20 0.36
GCK P35557 1/20 0.36
SMPD1 P17405 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
BRD4 O60885 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9760245 0.85 SMN1; SMN2 (0.41) SMN1; SMN2NPC1HPGDRAB9AKDM4E
SCHEMBL9099598 0.81 MAOA (0.42) SMN1; SMN2NPC1RAB9AKDM4EHTR1A
SCHEMBL10428975 0.79 MAPT (0.43) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL9100958 0.78 NPC1 (0.48) SMN1; SMN2NPC1HPGDRAB9AEGFR
SCHEMBL9811432 0.77 CCNB2 (0.47) HPGDKDM4EHTR1AADRA1DADRA1A
SCHEMBL10428974 0.77 HTR1A (0.39) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL9811439 0.77 KDM4E (0.48) SMN1; SMN2HPGDKDM4E
SCHEMBL9761022 0.71 CCNB2 (0.44) SMN1; SMN2NPC1HPGDRAB9AKDM4E
SCHEMBL2719972 0.67 LMNA (0.56) SMN1; SMN2NPC1HPGDRAB9AKDM4E
SCHEMBL6940369 0.67 MAOA (0.44) SMN1; SMN2HPGDKDM4EHTR1AADRA1D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011847-A 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO., INC. (US) 1991-04-30 US disclosed
US-5001123-A 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO., INC. (US) 1991-03-19 US disclosed
EP-0402156-A1 New 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO. INC. (US) 1990-12-12 EP disclosed
EP-0402155-A1 New 2,5-diaryl tetrahydrofurans and analogs therof as PAF antagonists MERCK & CO. INC. (US) 1990-12-12 EP disclosed